N-(cyclopropylmethyl)-2,3,4-trifluoroaniline

C10H10F3N — CID 43560276

IUPACN-(cyclopropylmethyl)-2,3,4-trifluoroaniline
SMILESFc1ccc(NCC2CC2)c(F)c1F
InChIInChI=1S/C10H10F3N/c11-7-3-4-8(10(13)9(7)12)14-5-6-1-2-6/h3-4,6,14H,1-2,5H2
InChIKeyIKABFIJFSKCKIA-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.93
Rot. Bonds3

About N-(cyclopropylmethyl)-2,3,4-trifluoroaniline

N-(cyclopropylmethyl)-2,3,4-trifluoroaniline (PubChem CID 43560276) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,3,4-trifluoroaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,3,4-trifluoroaniline
PubChem CID43560276
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC NameN-(cyclopropylmethyl)-2,3,4-trifluoroaniline
SMILESFc1ccc(NCC2CC2)c(F)c1F
InChIInChI=1S/C10H10F3N/c11-7-3-4-8(10(13)9(7)12)14-5-6-1-2-6/h3-4,6,14H,1-2,5H2
InChIKeyIKABFIJFSKCKIA-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2,3-difluoroaniline
CID 61076617
N-(cyclopropylmethyl)-2-fluoro-3-methylaniline
CID 130165755
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)aniline
CID 106632842
3-chloro-2,4-difluoro-N-[[3-(trifluoromethyl)cyclopentyl]methyl]aniline
CID 171482126
3-(cyclopropylmethylamino)-2-fluorobenzaldehyde
CID 146361910
2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline
CID 43560333
1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
CID 60783209
N-(cyclopentylmethyl)-5-ethyl-2-fluoroaniline
CID 142361453
4-chloro-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658637
2-bromo-4-[(4-ethylcyclohexyl)methylamino]-3-fluorobenzoic acid
CID 107539901
5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62385301
5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline
CID 130905382

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,3,4-trifluoroaniline?
The IUPAC name of N-(cyclopropylmethyl)-2,3,4-trifluoroaniline (CID 43560276) is N-(cyclopropylmethyl)-2,3,4-trifluoroaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-2,3,4-trifluoroaniline?
The canonical SMILES for N-(cyclopropylmethyl)-2,3,4-trifluoroaniline is Fc1ccc(NCC2CC2)c(F)c1F.
What is the InChIKey of N-(cyclopropylmethyl)-2,3,4-trifluoroaniline?
The InChIKey is IKABFIJFSKCKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-7-3-4-8(10(13)9(7)12)14-5-6-1-2-6/h3-4,6,14H,1-2,5H2.
What are the key properties of N-(cyclopropylmethyl)-2,3,4-trifluoroaniline?
N-(cyclopropylmethyl)-2,3,4-trifluoroaniline has a molecular weight of 201.19 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,3,4-trifluoroaniline is sourced from PubChem (CID 43560276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).