1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene

C17H21F7O — CID 156764039

IUPAC1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene
SMILESCCCCc1ccccc1C(C)(CC(F)(C(F)(F)F)C(F)(F)F)OC
InChIInChI=1S/C17H21F7O/c1-4-5-8-12-9-6-7-10-13(12)14(2,25-3)11-15(18,16(19,20)21)17(22,23)24/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyFTZBKGOEWYMRLZ-UHFFFAOYSA-N
MW374.34 g/mol
LogP6.11
Rot. Bonds7

About 1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene

1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene (PubChem CID 156764039) has the molecular formula C17H21F7O and a molecular weight of 374.34 g/mol. Its IUPAC name is 1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene.

Molecular Properties

Compound Name1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene
PubChem CID156764039
Molecular FormulaC17H21F7O
Molecular Weight374.34 g/mol
Exact Mass374.15
IUPAC Name1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene
SMILESCCCCc1ccccc1C(C)(CC(F)(C(F)(F)F)C(F)(F)F)OC
InChIInChI=1S/C17H21F7O/c1-4-5-8-12-9-6-7-10-13(12)14(2,25-3)11-15(18,16(19,20)21)17(22,23)24/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyFTZBKGOEWYMRLZ-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.34
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-propyl-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene
CID 156765872
1-(1,1-difluoroethyl)-2-pentylbenzene
CID 143129325
N,N-diethyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]aniline
CID 156764657
ethyl 2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzoate
CID 156763938
1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
CID 156765584
1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
CID 156764554
1-(2-bromopropan-2-yl)-2-undecylbenzene
CID 166519006
1-(2-bromopropan-2-yl)-2-tetradecylbenzene
CID 141042240
2-(2-ethylphenyl)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-2-ol
CID 156763097
1-(2-chloropropan-2-yl)-2-dodecylbenzene
CID 22556238
4-[2-(1,1-difluoroethyl)phenyl]butan-1-amine
CID 117304302
CID 18982445
CID 18982445

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene?
The IUPAC name of 1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene (CID 156764039) is 1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene.
What is the SMILES notation for 1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene?
The canonical SMILES for 1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene is CCCCc1ccccc1C(C)(CC(F)(C(F)(F)F)C(F)(F)F)OC.
What is the InChIKey of 1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene?
The InChIKey is FTZBKGOEWYMRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F7O/c1-4-5-8-12-9-6-7-10-13(12)14(2,25-3)11-15(18,16(19,20)21)17(22,23)24/h6-7,9-10H,4-5,8,11H2,1-3H3.
What are the key properties of 1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene?
1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene has a molecular weight of 374.34 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene is sourced from PubChem (CID 156764039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).