2-fluoro-4-propan-2-yl-1-propoxybenzene

C12H17FO — CID 67978486

IUPAC2-fluoro-4-propan-2-yl-1-propoxybenzene
SMILESCCCOc1ccc(C(C)C)cc1F
InChIInChI=1S/C12H17FO/c1-4-7-14-12-6-5-10(9(2)3)8-11(12)13/h5-6,8-9H,4,7H2,1-3H3
InChIKeyQTRUJADLZHYJDA-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.74
Rot. Bonds4

About 2-fluoro-4-propan-2-yl-1-propoxybenzene

2-fluoro-4-propan-2-yl-1-propoxybenzene (PubChem CID 67978486) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 2-fluoro-4-propan-2-yl-1-propoxybenzene.

Molecular Properties

Compound Name2-fluoro-4-propan-2-yl-1-propoxybenzene
PubChem CID67978486
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name2-fluoro-4-propan-2-yl-1-propoxybenzene
SMILESCCCOc1ccc(C(C)C)cc1F
InChIInChI=1S/C12H17FO/c1-4-7-14-12-6-5-10(9(2)3)8-11(12)13/h5-6,8-9H,4,7H2,1-3H3
InChIKeyQTRUJADLZHYJDA-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol
CID 163912251
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol
CID 142399478
2-(5-propan-2-yl-2-propoxyphenyl)acetic acid
CID 82054018
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol
CID 97294393
1-(4-butoxy-3-fluorophenyl)-2,2-dichloroethanol
CID 164893100
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 43285227
N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propan-2-yl-1-propoxybenzene?
The IUPAC name of 2-fluoro-4-propan-2-yl-1-propoxybenzene (CID 67978486) is 2-fluoro-4-propan-2-yl-1-propoxybenzene.
What is the SMILES notation for 2-fluoro-4-propan-2-yl-1-propoxybenzene?
The canonical SMILES for 2-fluoro-4-propan-2-yl-1-propoxybenzene is CCCOc1ccc(C(C)C)cc1F.
What is the InChIKey of 2-fluoro-4-propan-2-yl-1-propoxybenzene?
The InChIKey is QTRUJADLZHYJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-4-7-14-12-6-5-10(9(2)3)8-11(12)13/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 2-fluoro-4-propan-2-yl-1-propoxybenzene?
2-fluoro-4-propan-2-yl-1-propoxybenzene has a molecular weight of 196.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propan-2-yl-1-propoxybenzene is sourced from PubChem (CID 67978486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).