(3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol

C14H15F2NO2 — CID 171243959

IUPAC(3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol
SMILESCOc1ccc2ccccc2c1[C@@H](N)C(F)(F)CO
InChIInChI=1S/C14H15F2NO2/c1-19-11-7-6-9-4-2-3-5-10(9)12(11)13(17)14(15,16)8-18/h2-7,13,18H,8,17H2,1H3/t13-/m1/s1
InChIKeyHVEQXYHYYFHZJY-CYBMUJFWSA-N
MW267.28 g/mol
LogP2.48
Rot. Bonds4

About (3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol

(3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol (PubChem CID 171243959) has the molecular formula C14H15F2NO2 and a molecular weight of 267.28 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol
PubChem CID171243959
Molecular FormulaC14H15F2NO2
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name(3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol
SMILESCOc1ccc2ccccc2c1[C@@H](N)C(F)(F)CO
InChIInChI=1S/C14H15F2NO2/c1-19-11-7-6-9-4-2-3-5-10(9)12(11)13(17)14(15,16)8-18/h2-7,13,18H,8,17H2,1H3/t13-/m1/s1
InChIKeyHVEQXYHYYFHZJY-CYBMUJFWSA-N
XLogP2.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 171243957
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 171311917
1-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol
CID 171243783
1-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol
CID 171250512
1-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171243784
1-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171250513
(3R)-3-amino-2,2-difluoro-3-(2-methoxyphenyl)propan-1-ol
CID 171239731
(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171212938
(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine
CID 171212939
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
(1R)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512241

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol (CID 171243959) is (3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol is COc1ccc2ccccc2c1[C@@H](N)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol?
The InChIKey is HVEQXYHYYFHZJY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-19-11-7-6-9-4-2-3-5-10(9)12(11)13(17)14(15,16)8-18/h2-7,13,18H,8,17H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol?
(3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol has a molecular weight of 267.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol is sourced from PubChem (CID 171243959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).