4-(difluoromethyl)-1-propan-2-ylazepan-4-ol

C10H19F2NO — CID 80604393

IUPAC4-(difluoromethyl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(C(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-8(2)13-6-3-4-10(14,5-7-13)9(11)12/h8-9,14H,3-7H2,1-2H3
InChIKeyIHXYTCSZFMKCBM-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.88
Rot. Bonds2

About 4-(difluoromethyl)-1-propan-2-ylazepan-4-ol

4-(difluoromethyl)-1-propan-2-ylazepan-4-ol (PubChem CID 80604393) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name4-(difluoromethyl)-1-propan-2-ylazepan-4-ol
PubChem CID80604393
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name4-(difluoromethyl)-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CCCC(O)(C(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-8(2)13-6-3-4-10(14,5-7-13)9(11)12/h8-9,14H,3-7H2,1-2H3
InChIKeyIHXYTCSZFMKCBM-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-propan-2-ylazepan-4-ol?
The IUPAC name of 4-(difluoromethyl)-1-propan-2-ylazepan-4-ol (CID 80604393) is 4-(difluoromethyl)-1-propan-2-ylazepan-4-ol.
What is the SMILES notation for 4-(difluoromethyl)-1-propan-2-ylazepan-4-ol?
The canonical SMILES for 4-(difluoromethyl)-1-propan-2-ylazepan-4-ol is CC(C)N1CCCC(O)(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-propan-2-ylazepan-4-ol?
The InChIKey is IHXYTCSZFMKCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(2)13-6-3-4-10(14,5-7-13)9(11)12/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-1-propan-2-ylazepan-4-ol?
4-(difluoromethyl)-1-propan-2-ylazepan-4-ol has a molecular weight of 207.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-propan-2-ylazepan-4-ol is sourced from PubChem (CID 80604393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).