1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol

C10H19F2NO — CID 130891626

IUPAC1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol
SMILESCC1(C)CC(O)CCN(CC(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-10(2)5-8(14)3-4-13(7-10)6-9(11)12/h8-9,14H,3-7H2,1-2H3
InChIKeySRNQROWRDVIESR-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.73
Rot. Bonds2

About 1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol

1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol (PubChem CID 130891626) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol
PubChem CID130891626
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol
SMILESCC1(C)CC(O)CCN(CC(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-10(2)5-8(14)3-4-13(7-10)6-9(11)12/h8-9,14H,3-7H2,1-2H3
InChIKeySRNQROWRDVIESR-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-Dimethylpyrrolidin-3-yl)-3,3,3-trifluoropropan-1-ol
CID 60007018
5,5-Difluoro-1-methylazepan-4-ol
CID 105530296
3,3-Difluoro-1-methylazepan-4-ol
CID 118230261
4-Ethoxy-5,5-difluoro-1,1,3,3-tetramethylazepan-1-ium
CID 123245386
1-(2,2,2-Trifluoroethyl)azepan-4-ol
CID 126993466
5,5-Difluoro-1-propan-2-ylazepan-4-ol
CID 139302341
1-Ethyl-5,5-difluoroazepan-4-ol
CID 139302659
1-Ethyl-5-fluoroazepan-4-ol
CID 148486999
Propan-2-ol;1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 168149055
(4R)-1-tert-butyl-5,5-difluoroazepan-4-ol
CID 176612686
4,4-Dimethyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentan-3-ol
CID 62623210
1-[Ethyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624110

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol?
The IUPAC name of 1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol (CID 130891626) is 1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol?
The canonical SMILES for 1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol is CC1(C)CC(O)CCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol?
The InChIKey is SRNQROWRDVIESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-10(2)5-8(14)3-4-13(7-10)6-9(11)12/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol?
1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol has a molecular weight of 207.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6,6-dimethylazepan-4-ol is sourced from PubChem (CID 130891626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).