4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol

C14H27F3N2O2 — CID 70048103

IUPAC4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol
SMILESNC(CC1CCCCC1)C(O)C(O)CNCC(F)C(F)F
InChIInChI=1S/C14H27F3N2O2/c15-10(14(16)17)7-19-8-12(20)13(21)11(18)6-9-4-2-1-3-5-9/h9-14,19-21H,1-8,18H2
InChIKeyKZCQZPIILCOTDG-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.20
Rot. Bonds9

About 4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol

4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol (PubChem CID 70048103) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol.

Molecular Properties

Compound Name4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol
PubChem CID70048103
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Name4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol
SMILESNC(CC1CCCCC1)C(O)C(O)CNCC(F)C(F)F
InChIInChI=1S/C14H27F3N2O2/c15-10(14(16)17)7-19-8-12(20)13(21)11(18)6-9-4-2-1-3-5-9/h9-14,19-21H,1-8,18H2
InChIKeyKZCQZPIILCOTDG-UHFFFAOYSA-N
XLogP1.20
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
CID 57086179
(2R,3S,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
CID 102069608
(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol
CID 54442310
3-cyclopentyl-1,1-difluoropropan-2-ol
CID 112575466
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;hydrochloride
CID 18643834
(2S,3R,4S)-2-amino-1-cyclohexyl-7-methyloctane-3,4-diol
CID 15042536
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;dihydrochloride
CID 18643833
N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide
CID 14478731
(2S)-2-amino-1-cyclohexylheptane-3,4,5-triol
CID 67724480
(2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol
CID 58964071
2-amino-1-cyclohexyl-6-methylheptane-3,4,5-triol
CID 22154938

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol?
The IUPAC name of 4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol (CID 70048103) is 4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol.
What is the SMILES notation for 4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol?
The canonical SMILES for 4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol is NC(CC1CCCCC1)C(O)C(O)CNCC(F)C(F)F.
What is the InChIKey of 4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol?
The InChIKey is KZCQZPIILCOTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O2/c15-10(14(16)17)7-19-8-12(20)13(21)11(18)6-9-4-2-1-3-5-9/h9-14,19-21H,1-8,18H2.
What are the key properties of 4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol?
4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol has a molecular weight of 312.38 g/mol, XLogP of 1.20, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol is sourced from PubChem (CID 70048103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).