4-(fluoromethyl)azepan-4-ol

C7H14FNO — CID 118798570

IUPAC4-(fluoromethyl)azepan-4-ol
SMILESOC1(CF)CCCNCC1
InChIInChI=1S/C7H14FNO/c8-6-7(10)2-1-4-9-5-3-7/h9-10H,1-6H2
InChIKeyMRIWBUNZEYWWCJ-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.46
Rot. Bonds1

About 4-(fluoromethyl)azepan-4-ol

4-(fluoromethyl)azepan-4-ol (PubChem CID 118798570) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 4-(fluoromethyl)azepan-4-ol.

Molecular Properties

Compound Name4-(fluoromethyl)azepan-4-ol
PubChem CID118798570
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name4-(fluoromethyl)azepan-4-ol
SMILESOC1(CF)CCCNCC1
InChIInChI=1S/C7H14FNO/c8-6-7(10)2-1-4-9-5-3-7/h9-10H,1-6H2
InChIKeyMRIWBUNZEYWWCJ-UHFFFAOYSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylazepan-4-ol hydrochloride
CID 66653249
4-(Trifluoromethyl)azepan-4-ol hydrochloride
CID 118798394
4-Methylazepan-4-OL
CID 53393484
4-(Trifluoromethyl)azepan-4-ol
CID 55296064
5,5-Difluoro-4-methylazepan-4-ol
CID 176271122
4-(2-Aminoethyl)-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 83919438
4-(4,4,4-Trifluorobutyl)azepan-4-ol
CID 103982859
4-(3,3,3-Trifluoropropyl)azepan-4-ol
CID 103982938
4-(Difluoromethyl)azepan-4-ol
CID 103983030
4-[Bromo(difluoro)methyl]azepan-4-ol
CID 107140346
3-Methyl-4-(trifluoromethyl)azepan-4-ol hydrochloride
CID 118798623
3-Methyl-4-(trifluoromethyl)azepan-4-ol
CID 118798624

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)azepan-4-ol?
The IUPAC name of 4-(fluoromethyl)azepan-4-ol (CID 118798570) is 4-(fluoromethyl)azepan-4-ol.
What is the SMILES notation for 4-(fluoromethyl)azepan-4-ol?
The canonical SMILES for 4-(fluoromethyl)azepan-4-ol is OC1(CF)CCCNCC1.
What is the InChIKey of 4-(fluoromethyl)azepan-4-ol?
The InChIKey is MRIWBUNZEYWWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c8-6-7(10)2-1-4-9-5-3-7/h9-10H,1-6H2.
What are the key properties of 4-(fluoromethyl)azepan-4-ol?
4-(fluoromethyl)azepan-4-ol has a molecular weight of 147.19 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)azepan-4-ol is sourced from PubChem (CID 118798570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).