4-fluoro-2-pentan-3-yl-1-propylbenzene

C14H21F — CID 170087040

IUPAC4-fluoro-2-pentan-3-yl-1-propylbenzene
SMILESCCCc1ccc(F)cc1C(CC)CC
InChIInChI=1S/C14H21F/c1-4-7-12-8-9-13(15)10-14(12)11(5-2)6-3/h8-11H,4-7H2,1-3H3
InChIKeyIMZWYDDMVAKXCY-UHFFFAOYSA-N
MW208.32 g/mol
LogP4.68
Rot. Bonds5

About 4-fluoro-2-pentan-3-yl-1-propylbenzene

4-fluoro-2-pentan-3-yl-1-propylbenzene (PubChem CID 170087040) has the molecular formula C14H21F and a molecular weight of 208.32 g/mol. Its IUPAC name is 4-fluoro-2-pentan-3-yl-1-propylbenzene.

Molecular Properties

Compound Name4-fluoro-2-pentan-3-yl-1-propylbenzene
PubChem CID170087040
Molecular FormulaC14H21F
Molecular Weight208.32 g/mol
Exact Mass208.16
IUPAC Name4-fluoro-2-pentan-3-yl-1-propylbenzene
SMILESCCCc1ccc(F)cc1C(CC)CC
InChIInChI=1S/C14H21F/c1-4-7-12-8-9-13(15)10-14(12)11(5-2)6-3/h8-11H,4-7H2,1-3H3
InChIKeyIMZWYDDMVAKXCY-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol
CID 176716078
ethane;5-fluoro-2-propylphenol
CID 143012210
4-fluoro-2-propylaniline
CID 23348947
4-fluoro-1-iodo-2-propylbenzene
CID 126738396
4-fluoro-1-pentan-3-yl-2-(trifluoromethyl)benzene
CID 146382757
1-(2-ethyl-5-fluorophenyl)butan-1-amine
CID 55268868
(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine
CID 130619359
3-(2-chloro-5-fluorophenyl)pentanal
CID 83835553
4-chloro-N-(2,5-difluorophenyl)-N-[(1R)-1-(5-fluoro-2-propylphenyl)ethyl]benzenesulfonamide
CID 173210185
1-(2-bromo-4-fluorophenyl)hexan-3-amine
CID 43370453
2,4-difluoro-1-pentylbenzene
CID 20770613
N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine
CID 153362784

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-pentan-3-yl-1-propylbenzene?
The IUPAC name of 4-fluoro-2-pentan-3-yl-1-propylbenzene (CID 170087040) is 4-fluoro-2-pentan-3-yl-1-propylbenzene.
What is the SMILES notation for 4-fluoro-2-pentan-3-yl-1-propylbenzene?
The canonical SMILES for 4-fluoro-2-pentan-3-yl-1-propylbenzene is CCCc1ccc(F)cc1C(CC)CC.
What is the InChIKey of 4-fluoro-2-pentan-3-yl-1-propylbenzene?
The InChIKey is IMZWYDDMVAKXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F/c1-4-7-12-8-9-13(15)10-14(12)11(5-2)6-3/h8-11H,4-7H2,1-3H3.
What are the key properties of 4-fluoro-2-pentan-3-yl-1-propylbenzene?
4-fluoro-2-pentan-3-yl-1-propylbenzene has a molecular weight of 208.32 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-pentan-3-yl-1-propylbenzene is sourced from PubChem (CID 170087040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).