1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene

C18H21F — CID 135061580

IUPAC1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene
SMILESCc1ccccc1C[C@@H](F)CCCc1ccccc1
InChIInChI=1S/C18H21F/c1-15-8-5-6-12-17(15)14-18(19)13-7-11-16-9-3-2-4-10-16/h2-6,8-10,12,18H,7,11,13-14H2,1H3/t18-/m0/s1
InChIKeyNQJMMFQTUQGPQI-SFHVURJKSA-N
MW256.36 g/mol
LogP4.90
Rot. Bonds6

About 1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene

1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene (PubChem CID 135061580) has the molecular formula C18H21F and a molecular weight of 256.36 g/mol. Its IUPAC name is 1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene
PubChem CID135061580
Molecular FormulaC18H21F
Molecular Weight256.36 g/mol
Exact Mass256.16
IUPAC Name1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene
SMILESCc1ccccc1C[C@@H](F)CCCc1ccccc1
InChIInChI=1S/C18H21F/c1-15-8-5-6-12-17(15)14-18(19)13-7-11-16-9-3-2-4-10-16/h2-6,8-10,12,18H,7,11,13-14H2,1H3/t18-/m0/s1
InChIKeyNQJMMFQTUQGPQI-SFHVURJKSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-bromo-2-fluoropropyl)-2-methylbenzene
CID 122239723
2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride
CID 122239963
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
1-methyl-2-(4-methylhexyl)benzene
CID 123235312
5-fluoro-2-[(2-methylphenyl)methyl]pentanoic acid
CID 81113888
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745
1,1-difluoro-3-(2-methylphenyl)propan-2-ol
CID 112699159
4-fluoro-5-phenylpentan-1-amine
CID 83855308
1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene
CID 91641452
6-(2-methylphenyl)hexan-3-ol
CID 64514172
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 107516181

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene?
The IUPAC name of 1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene (CID 135061580) is 1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene.
What is the SMILES notation for 1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene?
The canonical SMILES for 1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene is Cc1ccccc1C[C@@H](F)CCCc1ccccc1.
What is the InChIKey of 1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene?
The InChIKey is NQJMMFQTUQGPQI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21F/c1-15-8-5-6-12-17(15)14-18(19)13-7-11-16-9-3-2-4-10-16/h2-6,8-10,12,18H,7,11,13-14H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene?
1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene has a molecular weight of 256.36 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene is sourced from PubChem (CID 135061580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).