ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene

C18H23F — CID 171834345

IUPACethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene
SMILESCC.CCCc1ccccc1Cc1ccc(F)cc1
InChIInChI=1S/C16H17F.C2H6/c1-2-5-14-6-3-4-7-15(14)12-13-8-10-16(17)11-9-13;1-2/h3-4,6-11H,2,5,12H2,1H3;1-2H3
InChIKeyBABUBDIVLBFMOC-UHFFFAOYSA-N
MW258.38 g/mol
LogP5.40
Rot. Bonds4

About ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene

ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene (PubChem CID 171834345) has the molecular formula C18H23F and a molecular weight of 258.38 g/mol. Its IUPAC name is ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene.

Molecular Properties

Compound Nameethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene
PubChem CID171834345
Molecular FormulaC18H23F
Molecular Weight258.38 g/mol
Exact Mass258.18
IUPAC Nameethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene
SMILESCC.CCCc1ccccc1Cc1ccc(F)cc1
InChIInChI=1S/C16H17F.C2H6/c1-2-5-14-6-3-4-7-15(14)12-13-8-10-16(17)11-9-13;1-2/h3-4,6-11H,2,5,12H2,1H3;1-2H3
InChIKeyBABUBDIVLBFMOC-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.38
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis[(2-octylphenyl)methyl]benzene
CID 22921262
1-fluoro-4-propylbenzene
CID 2737505
1-benzyl-2,3-dipropylbenzene
CID 22920914
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
1,4-bis[(2-methylphenyl)methyl]-2-propylbenzene
CID 22919653
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
ethane;(2-propylphenyl)methanethiol
CID 142320785
2-(2-benzylphenyl)ethanol;ethane
CID 145371338
1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene
CID 69230893
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
1-[(2-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]benzene
CID 22919163
2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene
CID 158519534

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene?
The IUPAC name of ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene (CID 171834345) is ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene.
What is the SMILES notation for ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene?
The canonical SMILES for ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene is CC.CCCc1ccccc1Cc1ccc(F)cc1.
What is the InChIKey of ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene?
The InChIKey is BABUBDIVLBFMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F.C2H6/c1-2-5-14-6-3-4-7-15(14)12-13-8-10-16(17)11-9-13;1-2/h3-4,6-11H,2,5,12H2,1H3;1-2H3.
What are the key properties of ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene?
ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene has a molecular weight of 258.38 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene is sourced from PubChem (CID 171834345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).