(3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol

C13H26F2N2O — CID 67807670

IUPAC(3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol
SMILESCN(C)CC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C13H26F2N2O/c1-17(2)9-13(14,15)12(18)11(16)8-10-6-4-3-5-7-10/h10-12,18H,3-9,16H2,1-2H3/t11-,12+/m0/s1
InChIKeyFWMGJOVEDQUODX-NWDGAFQWSA-N
MW264.36 g/mol
LogP1.84
Rot. Bonds6

About (3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol

(3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol (PubChem CID 67807670) has the molecular formula C13H26F2N2O and a molecular weight of 264.36 g/mol. Its IUPAC name is (3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol
PubChem CID67807670
Molecular FormulaC13H26F2N2O
Molecular Weight264.36 g/mol
Exact Mass264.20
IUPAC Name(3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol
SMILESCN(C)CC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C13H26F2N2O/c1-17(2)9-13(14,15)12(18)11(16)8-10-6-4-3-5-7-10/h10-12,18H,3-9,16H2,1-2H3/t11-,12+/m0/s1
InChIKeyFWMGJOVEDQUODX-NWDGAFQWSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol?
The IUPAC name of (3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol (CID 67807670) is (3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol.
What is the SMILES notation for (3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol?
The canonical SMILES for (3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol is CN(C)CC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol?
The InChIKey is FWMGJOVEDQUODX-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H26F2N2O/c1-17(2)9-13(14,15)12(18)11(16)8-10-6-4-3-5-7-10/h10-12,18H,3-9,16H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol?
(3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol has a molecular weight of 264.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-5-cyclohexyl-1-(dimethylamino)-2,2-difluoropentan-3-ol is sourced from PubChem (CID 67807670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).