1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene

C10H13FO — CID 118373947

IUPAC1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
SMILESCOC[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C10H13FO/c1-8(7-12-2)9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyATILOVBVQJQBCN-MRVPVSSYSA-N
MW168.21 g/mol
LogP2.58
Rot. Bonds3

About 1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene

1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene (PubChem CID 118373947) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
PubChem CID118373947
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
SMILESCOC[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C10H13FO/c1-8(7-12-2)9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyATILOVBVQJQBCN-MRVPVSSYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 143926197
1-fluoro-4-(1-propoxypropan-2-yl)benzene
CID 89390426
pentafluoro-[2-(4-fluorophenyl)propoxy]-λ6-sulfane
CID 143774712
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
CID 134395846
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene
CID 166847942
2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 130178989
methyl 2-(4-fluorophenyl)-3-methoxypropanoate
CID 117245338
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
1-(1-methoxypropan-2-yl)-4-nitrobenzene
CID 86111209

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene?
The IUPAC name of 1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene (CID 118373947) is 1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene?
The canonical SMILES for 1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene is COC[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene?
The InChIKey is ATILOVBVQJQBCN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13FO/c1-8(7-12-2)9-3-5-10(11)6-4-9/h3-6,8H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene?
1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene has a molecular weight of 168.21 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene is sourced from PubChem (CID 118373947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).