6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol

C10H19F2NO — CID 178173046

IUPAC6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol
SMILESCC(C)N1CC(C)(O)CCC(F)(F)C1
InChIInChI=1S/C10H19F2NO/c1-8(2)13-6-9(3,14)4-5-10(11,12)7-13/h8,14H,4-7H2,1-3H3
InChIKeyJAPUKNVLAQDQEY-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.88
Rot. Bonds1

About 6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol

6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol (PubChem CID 178173046) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol.

Molecular Properties

Compound Name6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol
PubChem CID178173046
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol
SMILESCC(C)N1CC(C)(O)CCC(F)(F)C1
InChIInChI=1S/C10H19F2NO/c1-8(2)13-6-9(3,14)4-5-10(11,12)7-13/h8,14H,4-7H2,1-3H3
InChIKeyJAPUKNVLAQDQEY-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]propan-2-ol
CID 155201050
(S)-2-(4,4-Difluoro-1-methylpyrrolidin-2-YL)propan-2-OL
CID 165405834
3-(Fluoromethyl)-1-propan-2-ylazepan-3-ol
CID 168104622
1,1,1-trifluoro-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-ol
CID 170366282
2-[(2S)-1-ethylpyrrolidin-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 174164358
2-(4,4-Difluoro-1-methylpyrrolidin-2-yl)propan-2-ol
CID 174189675
6,6-Difluoro-1,3-dimethylazepan-3-ol
CID 178173246
6,6-Difluoro-1-propan-2-ylazepan-3-ol;ethane
CID 178173556
1-Amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-2-ol
CID 64820460
1-Propan-2-yl-4-(trifluoromethyl)azepan-4-ol
CID 65077123
1-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
CID 65212783
4-(Difluoromethyl)-1-propan-2-ylazepan-4-ol
CID 80604393

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol?
The IUPAC name of 6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol (CID 178173046) is 6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol.
What is the SMILES notation for 6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol?
The canonical SMILES for 6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol is CC(C)N1CC(C)(O)CCC(F)(F)C1.
What is the InChIKey of 6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol?
The InChIKey is JAPUKNVLAQDQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(2)13-6-9(3,14)4-5-10(11,12)7-13/h8,14H,4-7H2,1-3H3.
What are the key properties of 6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol?
6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol has a molecular weight of 207.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-methyl-1-propan-2-ylazepan-3-ol is sourced from PubChem (CID 178173046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).