[(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol

C14H17ClF2O3 — CID 162455831

IUPAC[(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol
SMILESCOC(OC)[C@]1(CO)CCC(F)(F)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClF2O3/c1-19-12(20-2)13(8-18)5-6-14(16,17)11-7-9(15)3-4-10(11)13/h3-4,7,12,18H,5-6,8H2,1-2H3/t13-/m0/s1
InChIKeyKJADYJATUZXPCG-ZDUSSCGKSA-N
MW306.74 g/mol
LogP3.07
Rot. Bonds4

About [(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol

[(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol (PubChem CID 162455831) has the molecular formula C14H17ClF2O3 and a molecular weight of 306.74 g/mol. Its IUPAC name is [(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol
PubChem CID162455831
Molecular FormulaC14H17ClF2O3
Molecular Weight306.74 g/mol
Exact Mass306.08
IUPAC Name[(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol
SMILESCOC(OC)[C@]1(CO)CCC(F)(F)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClF2O3/c1-19-12(20-2)13(8-18)5-6-14(16,17)11-7-9(15)3-4-10(11)13/h3-4,7,12,18H,5-6,8H2,1-2H3/t13-/m0/s1
InChIKeyKJADYJATUZXPCG-ZDUSSCGKSA-N
XLogP3.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol
CID 116842455
methyl 5-amino-4-[[(1R)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methoxy]-2-fluorobenzoate
CID 130367674
methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
CID 116964008
1-(2,5-dichlorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 67059855
(5S)-7-chloro-4,4-difluoro-5-hydroxy-5-(hydroxymethyl)-2,3-dihydro-1-benzazepine-1-carboxylic acid
CID 137373451
(4-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755605
(5S)-7-chloro-4,4-difluoro-5-(hydroxymethyl)-2,3-dihydro-1H-1-benzazepin-5-ol;hydrochloride
CID 137373477
1-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-ol
CID 113414556
[5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol
CID 114845752
(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921922
5'-chloro-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5-ol
CID 58939172
1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine
CID 65004014

Frequently Asked Questions

What is the IUPAC name of [(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol?
The IUPAC name of [(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol (CID 162455831) is [(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol.
What is the SMILES notation for [(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol?
The canonical SMILES for [(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol is COC(OC)[C@]1(CO)CCC(F)(F)c2cc(Cl)ccc21.
What is the InChIKey of [(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol?
The InChIKey is KJADYJATUZXPCG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17ClF2O3/c1-19-12(20-2)13(8-18)5-6-14(16,17)11-7-9(15)3-4-10(11)13/h3-4,7,12,18H,5-6,8H2,1-2H3/t13-/m0/s1.
What are the key properties of [(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol?
[(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol has a molecular weight of 306.74 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-chloro-1-(dimethoxymethyl)-4,4-difluoro-2,3-dihydronaphthalen-1-yl]methanol is sourced from PubChem (CID 162455831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).