4-ethyl-1-(3-fluoropropyl)-2-methylbenzene

C12H17F — CID 130372801

IUPAC4-ethyl-1-(3-fluoropropyl)-2-methylbenzene
SMILESCCc1ccc(CCCF)c(C)c1
InChIInChI=1S/C12H17F/c1-3-11-6-7-12(5-4-8-13)10(2)9-11/h6-7,9H,3-5,8H2,1-2H3
InChIKeyDPTNUHFVHQMRGT-UHFFFAOYSA-N
MW180.27 g/mol
LogP3.46
Rot. Bonds4

About 4-ethyl-1-(3-fluoropropyl)-2-methylbenzene

4-ethyl-1-(3-fluoropropyl)-2-methylbenzene (PubChem CID 130372801) has the molecular formula C12H17F and a molecular weight of 180.27 g/mol. Its IUPAC name is 4-ethyl-1-(3-fluoropropyl)-2-methylbenzene.

Molecular Properties

Compound Name4-ethyl-1-(3-fluoropropyl)-2-methylbenzene
PubChem CID130372801
Molecular FormulaC12H17F
Molecular Weight180.27 g/mol
Exact Mass180.13
IUPAC Name4-ethyl-1-(3-fluoropropyl)-2-methylbenzene
SMILESCCc1ccc(CCCF)c(C)c1
InChIInChI=1S/C12H17F/c1-3-11-6-7-12(5-4-8-13)10(2)9-11/h6-7,9H,3-5,8H2,1-2H3
InChIKeyDPTNUHFVHQMRGT-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-2-methyl-1-pentylbenzene
CID 143596455
1,4-diethyl-2-methylbenzene;ethane
CID 158451617
4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene
CID 174085022
acetylene;1,4-diethyl-2-methylbenzene;ethane
CID 143147503
4-(chloromethyl)-1-dodecyl-2-methylbenzene
CID 102093767
4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
2-(3-bromopropyl)-4-ethyl-1-methylbenzene
CID 118842202
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410
4-(chloromethyl)-2-methyl-1-propylbenzene
CID 91499094
1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
CID 142860311
(2-methyl-4-propylphenyl)methanamine
CID 86664509
2,4-dimethyl-1-pentylbenzene;1-ethyl-4-pentylbenzene;1-pentyl-4-(trifluoromethyl)benzene
CID 143010329

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-fluoropropyl)-2-methylbenzene?
The IUPAC name of 4-ethyl-1-(3-fluoropropyl)-2-methylbenzene (CID 130372801) is 4-ethyl-1-(3-fluoropropyl)-2-methylbenzene.
What is the SMILES notation for 4-ethyl-1-(3-fluoropropyl)-2-methylbenzene?
The canonical SMILES for 4-ethyl-1-(3-fluoropropyl)-2-methylbenzene is CCc1ccc(CCCF)c(C)c1.
What is the InChIKey of 4-ethyl-1-(3-fluoropropyl)-2-methylbenzene?
The InChIKey is DPTNUHFVHQMRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F/c1-3-11-6-7-12(5-4-8-13)10(2)9-11/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 4-ethyl-1-(3-fluoropropyl)-2-methylbenzene?
4-ethyl-1-(3-fluoropropyl)-2-methylbenzene has a molecular weight of 180.27 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-fluoropropyl)-2-methylbenzene is sourced from PubChem (CID 130372801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).