N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide

C12H13F4NO — CID 86071200

IUPACN-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide
SMILESCC(C)(Cc1ccc(F)c(C(F)(F)F)c1)NC=O
InChIInChI=1S/C12H13F4NO/c1-11(2,17-7-18)6-8-3-4-10(13)9(5-8)12(14,15)16/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyZWSZPCBBYHNPKI-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.91
Rot. Bonds4

About N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide

N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide (PubChem CID 86071200) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide
PubChem CID86071200
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC NameN-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide
SMILESCC(C)(Cc1ccc(F)c(C(F)(F)F)c1)NC=O
InChIInChI=1S/C12H13F4NO/c1-11(2,17-7-18)6-8-3-4-10(13)9(5-8)12(14,15)16/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyZWSZPCBBYHNPKI-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,2-dimethylbutan-1-amine
CID 103460427
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-methylbut-2-en-1-amine
CID 103527880
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-N-methylethanesulfonamide
CID 102674765
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 59545613
3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
CID 103851684
3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171272
[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite
CID 144961841
3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 107290244
4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 163781390
[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonic acid
CID 141423589

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide?
The IUPAC name of N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide (CID 86071200) is N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide.
What is the SMILES notation for N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide?
The canonical SMILES for N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide is CC(C)(Cc1ccc(F)c(C(F)(F)F)c1)NC=O.
What is the InChIKey of N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide?
The InChIKey is ZWSZPCBBYHNPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-11(2,17-7-18)6-8-3-4-10(13)9(5-8)12(14,15)16/h3-5,7H,6H2,1-2H3,(H,17,18).
What are the key properties of N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide?
N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide has a molecular weight of 263.23 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]formamide is sourced from PubChem (CID 86071200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).