4-butan-2-yl-2-fluoro-1-methoxybenzene

C11H15FO — CID 126760207

IUPAC4-butan-2-yl-2-fluoro-1-methoxybenzene
SMILESCCC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H15FO/c1-4-8(2)9-5-6-11(13-3)10(12)7-9/h5-8H,4H2,1-3H3
InChIKeyDLTLJIIYLMXLBH-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.35
Rot. Bonds3

About 4-butan-2-yl-2-fluoro-1-methoxybenzene

4-butan-2-yl-2-fluoro-1-methoxybenzene (PubChem CID 126760207) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-butan-2-yl-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-butan-2-yl-2-fluoro-1-methoxybenzene
PubChem CID126760207
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name4-butan-2-yl-2-fluoro-1-methoxybenzene
SMILESCCC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H15FO/c1-4-8(2)9-5-6-11(13-3)10(12)7-9/h5-8H,4H2,1-3H3
InChIKeyDLTLJIIYLMXLBH-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
4-butan-2-yl-2-fluoro-1-methoxybenzene;1-fluoro-2-methoxy-3-propan-2-ylbenzene
CID 171630666
4-(1-chloro-2-methylbutyl)-2-fluoro-1-methoxybenzene
CID 61083454
2-fluoro-1-methoxy-4-(4,4,4-trifluorobutan-2-yl)benzene
CID 174252314
4-(1-bromo-2-methylbutyl)-2-fluoro-1-methoxybenzene
CID 61098601
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine
CID 64720986
1-(5-butan-2-yl-2-methoxyphenyl)ethanamine
CID 4319802
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-butan-2-yl-2-fluoro-1-methoxybenzene (CID 126760207) is 4-butan-2-yl-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-butan-2-yl-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-butan-2-yl-2-fluoro-1-methoxybenzene is CCC(C)c1ccc(OC)c(F)c1.
What is the InChIKey of 4-butan-2-yl-2-fluoro-1-methoxybenzene?
The InChIKey is DLTLJIIYLMXLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-4-8(2)9-5-6-11(13-3)10(12)7-9/h5-8H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-2-fluoro-1-methoxybenzene?
4-butan-2-yl-2-fluoro-1-methoxybenzene has a molecular weight of 182.24 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 126760207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).