(1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol

C10H9ClF2O — CID 107477727

IUPAC(1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1CCCc2c(Cl)cc(F)c(F)c21
InChIInChI=1S/C10H9ClF2O/c11-6-4-7(12)10(13)9-5(6)2-1-3-8(9)14/h4,8,14H,1-3H2/t8-/m1/s1
InChIKeyMNROXFBUTPXAMX-MRVPVSSYSA-N
MW218.63 g/mol
LogP2.99
Rot. Bonds

About (1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol

(1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 107477727) has the molecular formula C10H9ClF2O and a molecular weight of 218.63 g/mol. Its IUPAC name is (1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID107477727
Molecular FormulaC10H9ClF2O
Molecular Weight218.63 g/mol
Exact Mass218.03
IUPAC Name(1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1CCCc2c(Cl)cc(F)c(F)c21
InChIInChI=1S/C10H9ClF2O/c11-6-4-7(12)10(13)9-5(6)2-1-3-8(9)14/h4,8,14H,1-3H2/t8-/m1/s1
InChIKeyMNROXFBUTPXAMX-MRVPVSSYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.63
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79732992
1-chloro-3,4-difluoro-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107477722
(16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol
CID 79014140
4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol
CID 130114805
(5R)-1,3-difluoro-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79731744
8-amino-4-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 130060029
1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene
CID 103304648
(1R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129380109
(5S)-1,3-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79014382
8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 10798628
(5S)-4-chloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 104546659
(1S)-1,2,3,4,5,6,7,8-octahydroanthracene-1,9,10-triol
CID 11160655

Frequently Asked Questions

What is the IUPAC name of (1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol (CID 107477727) is (1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol is O[C@@H]1CCCc2c(Cl)cc(F)c(F)c21.
What is the InChIKey of (1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is MNROXFBUTPXAMX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9ClF2O/c11-6-4-7(12)10(13)9-5(6)2-1-3-8(9)14/h4,8,14H,1-3H2/t8-/m1/s1.
What are the key properties of (1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 218.63 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-chloro-7,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 107477727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).