(R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride

C14H20ClF2NO — CID 164980358

IUPAC(R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride
SMILESCC1(C)CC[C@H]([C@@H](O)c2cc(F)c(N)c(F)c2)C1.Cl
InChIInChI=1S/C14H19F2NO.ClH/c1-14(2)4-3-8(7-14)13(18)9-5-10(15)12(17)11(16)6-9;/h5-6,8,13,18H,3-4,7,17H2,1-2H3;1H/t8-,13+;/m0./s1
InChIKeyUOXVWGYVOCOQTN-CPBFHQHQSA-N
MW291.77 g/mol
LogP3.83
Rot. Bonds2

About (R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride

(R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride (PubChem CID 164980358) has the molecular formula C14H20ClF2NO and a molecular weight of 291.77 g/mol. Its IUPAC name is (R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride.

Molecular Properties

Compound Name(R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride
PubChem CID164980358
Molecular FormulaC14H20ClF2NO
Molecular Weight291.77 g/mol
Exact Mass291.12
IUPAC Name(R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride
SMILESCC1(C)CC[C@H]([C@@H](O)c2cc(F)c(N)c(F)c2)C1.Cl
InChIInChI=1S/C14H19F2NO.ClH/c1-14(2)4-3-8(7-14)13(18)9-5-10(15)12(17)11(16)6-9;/h5-6,8,13,18H,3-4,7,17H2,1-2H3;1H/t8-,13+;/m0./s1
InChIKeyUOXVWGYVOCOQTN-CPBFHQHQSA-N
XLogP3.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride?
The IUPAC name of (R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride (CID 164980358) is (R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride.
What is the SMILES notation for (R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride?
The canonical SMILES for (R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride is CC1(C)CC[C@H]([C@@H](O)c2cc(F)c(N)c(F)c2)C1.Cl.
What is the InChIKey of (R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride?
The InChIKey is UOXVWGYVOCOQTN-CPBFHQHQSA-N. The full InChI is InChI=1S/C14H19F2NO.ClH/c1-14(2)4-3-8(7-14)13(18)9-5-10(15)12(17)11(16)6-9;/h5-6,8,13,18H,3-4,7,17H2,1-2H3;1H/t8-,13+;/m0./s1.
What are the key properties of (R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride?
(R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride has a molecular weight of 291.77 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride is sourced from PubChem (CID 164980358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).