2-[3,4-bis(trifluoromethyl)phenyl]acetamide

C10H7F6NO — CID 87509957

IUPAC2-[3,4-bis(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C10H7F6NO/c11-9(12,13)6-2-1-5(4-8(17)18)3-7(6)10(14,15)16/h1-3H,4H2,(H2,17,18)
InChIKeyTZGXCTGMLRZOLQ-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.75
Rot. Bonds2

About 2-[3,4-bis(trifluoromethyl)phenyl]acetamide

2-[3,4-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 87509957) has the molecular formula C10H7F6NO and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-[3,4-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3,4-bis(trifluoromethyl)phenyl]acetamide
PubChem CID87509957
Molecular FormulaC10H7F6NO
Molecular Weight271.16 g/mol
Exact Mass271.04
IUPAC Name2-[3,4-bis(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C10H7F6NO/c11-9(12,13)6-2-1-5(4-8(17)18)3-7(6)10(14,15)16/h1-3H,4H2,(H2,17,18)
InChIKeyTZGXCTGMLRZOLQ-UHFFFAOYSA-N
XLogP2.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 88925374
3,4-bis(trifluoromethyl)benzamide;hydrochloride
CID 174566583
2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 87486222
3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide
CID 69353641
2-[3-chloro-4-(trifluoromethyl)phenyl]acetic acid
CID 57367989
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
CID 60605202
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid
CID 69474334
ethyl 2-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]acetate
CID 170999588
1-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]propan-2-one
CID 67391018
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one
CID 165042761

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3,4-bis(trifluoromethyl)phenyl]acetamide (CID 87509957) is 2-[3,4-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3,4-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3,4-bis(trifluoromethyl)phenyl]acetamide is NC(=O)Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[3,4-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is TZGXCTGMLRZOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO/c11-9(12,13)6-2-1-5(4-8(17)18)3-7(6)10(14,15)16/h1-3H,4H2,(H2,17,18).
What are the key properties of 2-[3,4-bis(trifluoromethyl)phenyl]acetamide?
2-[3,4-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 271.16 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 87509957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).