[1-(fluoromethyl)cycloheptyl]methanol

C9H17FO — CID 84764269

IUPAC[1-(fluoromethyl)cycloheptyl]methanol
SMILESOCC1(CF)CCCCCC1
InChIInChI=1S/C9H17FO/c10-7-9(8-11)5-3-1-2-4-6-9/h11H,1-8H2
InChIKeyFEFNZYRRTHIWSJ-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.29
Rot. Bonds2

About [1-(fluoromethyl)cycloheptyl]methanol

[1-(fluoromethyl)cycloheptyl]methanol (PubChem CID 84764269) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is [1-(fluoromethyl)cycloheptyl]methanol.

Molecular Properties

Compound Name[1-(fluoromethyl)cycloheptyl]methanol
PubChem CID84764269
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name[1-(fluoromethyl)cycloheptyl]methanol
SMILESOCC1(CF)CCCCCC1
InChIInChI=1S/C9H17FO/c10-7-9(8-11)5-3-1-2-4-6-9/h11H,1-8H2
InChIKeyFEFNZYRRTHIWSJ-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(fluoromethyl)cycloheptyl]methanol?
The IUPAC name of [1-(fluoromethyl)cycloheptyl]methanol (CID 84764269) is [1-(fluoromethyl)cycloheptyl]methanol.
What is the SMILES notation for [1-(fluoromethyl)cycloheptyl]methanol?
The canonical SMILES for [1-(fluoromethyl)cycloheptyl]methanol is OCC1(CF)CCCCCC1.
What is the InChIKey of [1-(fluoromethyl)cycloheptyl]methanol?
The InChIKey is FEFNZYRRTHIWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c10-7-9(8-11)5-3-1-2-4-6-9/h11H,1-8H2.
What are the key properties of [1-(fluoromethyl)cycloheptyl]methanol?
[1-(fluoromethyl)cycloheptyl]methanol has a molecular weight of 160.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(fluoromethyl)cycloheptyl]methanol is sourced from PubChem (CID 84764269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).