N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide

C10H9ClF3NO — CID 154659574

IUPACN-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide
SMILESC[C@H](NC=O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9ClF3NO/c1-6(15-5-16)8-3-2-7(4-9(8)11)10(12,13)14/h2-6H,1H3,(H,15,16)/t6-/m0/s1
InChIKeyWADKQRZWGMSRAU-LURJTMIESA-N
MW251.64 g/mol
LogP3.17
Rot. Bonds3

About N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide

N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide (PubChem CID 154659574) has the molecular formula C10H9ClF3NO and a molecular weight of 251.64 g/mol. Its IUPAC name is N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide
PubChem CID154659574
Molecular FormulaC10H9ClF3NO
Molecular Weight251.64 g/mol
Exact Mass251.03
IUPAC NameN-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide
SMILESC[C@H](NC=O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9ClF3NO/c1-6(15-5-16)8-3-2-7(4-9(8)11)10(12,13)14/h2-6H,1H3,(H,15,16)/t6-/m0/s1
InChIKeyWADKQRZWGMSRAU-LURJTMIESA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 53.17
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

(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
CID 129407606
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131398448
2-chloro-1-(dichloromethyl)-4-(trifluoromethyl)benzene
CID 10858323
3-bromo-4-[2-chloro-4-(trifluoromethyl)phenyl]pentan-2-one
CID 64720279
3-[2-chloro-5-(trifluoromethyl)phenyl]butanal
CID 117380007
methyl 2-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylbutanimidate
CID 20571382
2-chloro-1-(dichloromethyl)-4-(trifluoromethyl)benzene;1-(dichloromethyl)-4-(trifluoromethyl)benzene
CID 157379718
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
N-[1-(2-chloro-4-fluorophenyl)ethyl]methanethioamide
CID 57281551
2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-2-methyl-4-propan-2-ylbenzene
CID 144880341
2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43714604
2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 63668275

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide?
The IUPAC name of N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide (CID 154659574) is N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide.
What is the SMILES notation for N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide?
The canonical SMILES for N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide is C[C@H](NC=O)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide?
The InChIKey is WADKQRZWGMSRAU-LURJTMIESA-N. The full InChI is InChI=1S/C10H9ClF3NO/c1-6(15-5-16)8-3-2-7(4-9(8)11)10(12,13)14/h2-6H,1H3,(H,15,16)/t6-/m0/s1.
What are the key properties of N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide?
N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide has a molecular weight of 251.64 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide is sourced from PubChem (CID 154659574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).