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

C14H27F2NO2 — CID 54419507

IUPAC(3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol
SMILESCC(C)[C@@H](O)C(F)(F)[C@H](O)CC(N)C1CCCCC1
InChIInChI=1S/C14H27F2NO2/c1-9(2)13(19)14(15,16)12(18)8-11(17)10-6-4-3-5-7-10/h9-13,18-19H,3-8,17H2,1-2H3/t11?,12-,13-/m1/s1
InChIKeyVZUFPDSIASRNNR-VFRRUGBOSA-N
MW279.37 g/mol
LogP2.30
Rot. Bonds6

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

(3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol (PubChem CID 54419507) has the molecular formula C14H27F2NO2 and a molecular weight of 279.37 g/mol. Its IUPAC name is (3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol.

Molecular Properties

Compound Name(3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol
PubChem CID54419507
Molecular FormulaC14H27F2NO2
Molecular Weight279.37 g/mol
Exact Mass279.20
IUPAC Name(3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol
SMILESCC(C)[C@@H](O)C(F)(F)[C@H](O)CC(N)C1CCCCC1
InChIInChI=1S/C14H27F2NO2/c1-9(2)13(19)14(15,16)12(18)8-11(17)10-6-4-3-5-7-10/h9-13,18-19H,3-8,17H2,1-2H3/t11?,12-,13-/m1/s1
InChIKeyVZUFPDSIASRNNR-VFRRUGBOSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol?
The IUPAC name of (3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol (CID 54419507) is (3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol.
What is the SMILES notation for (3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol?
The canonical SMILES for (3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol is CC(C)[C@@H](O)C(F)(F)[C@H](O)CC(N)C1CCCCC1.
What is the InChIKey of (3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol?
The InChIKey is VZUFPDSIASRNNR-VFRRUGBOSA-N. The full InChI is InChI=1S/C14H27F2NO2/c1-9(2)13(19)14(15,16)12(18)8-11(17)10-6-4-3-5-7-10/h9-13,18-19H,3-8,17H2,1-2H3/t11?,12-,13-/m1/s1.
What are the key properties of (3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol?
(3R,5R)-1-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 (3R,5R)-1-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol is sourced from PubChem (CID 54419507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).