1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol

C14H28F2N2O — CID 67918109

IUPAC1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
SMILESCC(CN)CC(F)(F)C(O)CC(N)C1CCCCC1
InChIInChI=1S/C14H28F2N2O/c1-10(9-17)8-14(15,16)13(19)7-12(18)11-5-3-2-4-6-11/h10-13,19H,2-9,17-18H2,1H3
InChIKeyIMBRHUFVYDCEFK-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.27
Rot. Bonds7

About 1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol

1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol (PubChem CID 67918109) has the molecular formula C14H28F2N2O and a molecular weight of 278.39 g/mol. Its IUPAC name is 1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol.

Molecular Properties

Compound Name1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
PubChem CID67918109
Molecular FormulaC14H28F2N2O
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
SMILESCC(CN)CC(F)(F)C(O)CC(N)C1CCCCC1
InChIInChI=1S/C14H28F2N2O/c1-10(9-17)8-14(15,16)13(19)7-12(18)11-5-3-2-4-6-11/h10-13,19H,2-9,17-18H2,1H3
InChIKeyIMBRHUFVYDCEFK-UHFFFAOYSA-N
XLogP2.27
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol?
The IUPAC name of 1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol (CID 67918109) is 1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol.
What is the SMILES notation for 1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol?
The canonical SMILES for 1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol is CC(CN)CC(F)(F)C(O)CC(N)C1CCCCC1.
What is the InChIKey of 1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol?
The InChIKey is IMBRHUFVYDCEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2O/c1-10(9-17)8-14(15,16)13(19)7-12(18)11-5-3-2-4-6-11/h10-13,19H,2-9,17-18H2,1H3.
What are the key properties of 1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol?
1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol has a molecular weight of 278.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol is sourced from PubChem (CID 67918109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).