[6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol

C18H22FNO — CID 70940407

IUPAC[6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol
SMILESCCC(CC)(CF)c1cccc(C(O)c2ccccc2)n1
InChIInChI=1S/C18H22FNO/c1-3-18(4-2,13-19)16-12-8-11-15(20-16)17(21)14-9-6-5-7-10-14/h5-12,17,21H,3-4,13H2,1-2H3
InChIKeyDTSLPKCZPVFMFR-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.19
Rot. Bonds6

About [6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol

[6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol (PubChem CID 70940407) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is [6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol.

Molecular Properties

Compound Name[6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol
PubChem CID70940407
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name[6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol
SMILESCCC(CC)(CF)c1cccc(C(O)c2ccccc2)n1
InChIInChI=1S/C18H22FNO/c1-3-18(4-2,13-19)16-12-8-11-15(20-16)17(21)14-9-6-5-7-10-14/h5-12,17,21H,3-4,13H2,1-2H3
InChIKeyDTSLPKCZPVFMFR-UHFFFAOYSA-N
XLogP4.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol?
The IUPAC name of [6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol (CID 70940407) is [6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol.
What is the SMILES notation for [6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol?
The canonical SMILES for [6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol is CCC(CC)(CF)c1cccc(C(O)c2ccccc2)n1.
What is the InChIKey of [6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol?
The InChIKey is DTSLPKCZPVFMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-18(4-2,13-19)16-12-8-11-15(20-16)17(21)14-9-6-5-7-10-14/h5-12,17,21H,3-4,13H2,1-2H3.
What are the key properties of [6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol?
[6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol has a molecular weight of 287.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(fluoromethyl)pentan-3-yl]-2-pyridinyl]-phenylmethanol is sourced from PubChem (CID 70940407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).