(2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol

C14H27F2NO2 — CID 14629908

IUPAC(2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol
SMILESCC(C)[C@@H](O)C(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H27F2NO2/c1-9(2)12(18)14(15,16)13(19)11(17)8-10-6-4-3-5-7-10/h9-13,18-19H,3-8,17H2,1-2H3/t11-,12+,13+/m0/s1
InChIKeyJVADNGBUHVXBCV-YNEHKIRRSA-N
MW279.37 g/mol
LogP2.30
Rot. Bonds6

About (2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol

(2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol (PubChem CID 14629908) has the molecular formula C14H27F2NO2 and a molecular weight of 279.37 g/mol. Its IUPAC name is (2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol.

Molecular Properties

Compound Name(2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol
PubChem CID14629908
Molecular FormulaC14H27F2NO2
Molecular Weight279.37 g/mol
Exact Mass279.20
IUPAC Name(2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol
SMILESCC(C)[C@@H](O)C(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H27F2NO2/c1-9(2)12(18)14(15,16)13(19)11(17)8-10-6-4-3-5-7-10/h9-13,18-19H,3-8,17H2,1-2H3/t11-,12+,13+/m0/s1
InChIKeyJVADNGBUHVXBCV-YNEHKIRRSA-N
XLogP2.30
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol with MolForge

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Related Compounds

3-Amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
CID 4337613
Iso (13-methyl-d14:0) sphinganine
CID 171117791
3-Amino-4,4-difluoro-2-methyltridecan-5-ol
CID 11666146
(2S,3R,5S)-2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18655656
2,5-Diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18939543
5-Amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol
CID 19391141
2-Amino-1-cyclohexyl-4,4-difluoro-6-methyl-5-sulfanylheptan-3-ol
CID 19736422
7,7-Diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 19881660
1,4-Diamino-5-cyclohexyl-2,2-difluoropentan-3-ol
CID 20027209
3-Amino-4-cyclohexyl-1-cyclopropyl-1-fluoro-2-butanol
CID 21692242
(4R,5S)-5-amino-6-cyclohexyl-1,1,1,2,2-pentafluorohexane-3,4-diol
CID 22855346
(2S,3R,5S)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol
CID 53976085

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol?
The IUPAC name of (2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol (CID 14629908) is (2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol.
What is the SMILES notation for (2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol?
The canonical SMILES for (2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol is CC(C)[C@@H](O)C(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol?
The InChIKey is JVADNGBUHVXBCV-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H27F2NO2/c1-9(2)12(18)14(15,16)13(19)11(17)8-10-6-4-3-5-7-10/h9-13,18-19H,3-8,17H2,1-2H3/t11-,12+,13+/m0/s1.
What are the key properties of (2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol?
(2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol has a molecular weight of 279.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol is sourced from PubChem (CID 14629908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).