N-prop-1-enyl-4-(trifluoromethoxy)aniline

C10H10F3NO — CID 173173563

IUPACN-prop-1-enyl-4-(trifluoromethoxy)aniline
SMILESCC=CNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-2-7-14-8-3-5-9(6-4-8)15-10(11,12)13/h2-7,14H,1H3
InChIKeyCBXQZKWIQAHHRQ-UHFFFAOYSA-N
MW217.19 g/mol
LogP3.53
Rot. Bonds3

About N-prop-1-enyl-4-(trifluoromethoxy)aniline

N-prop-1-enyl-4-(trifluoromethoxy)aniline (PubChem CID 173173563) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-prop-1-enyl-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-prop-1-enyl-4-(trifluoromethoxy)aniline
PubChem CID173173563
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-prop-1-enyl-4-(trifluoromethoxy)aniline
SMILESCC=CNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-2-7-14-8-3-5-9(6-4-8)15-10(11,12)13/h2-7,14H,1H3
InChIKeyCBXQZKWIQAHHRQ-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine
CID 150631626
3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium
CID 6836738
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818
1-[(Z)-prop-1-enyl]-4-(trifluoromethoxy)benzene
CID 153000469
1-(4-ethylphenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
CID 630587
[4-(trifluoromethoxy)anilino]azanium
CID 140653145
(E)-1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
CID 51045927
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
1-(4-phenylphenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
CID 4693388
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522

Frequently Asked Questions

What is the IUPAC name of N-prop-1-enyl-4-(trifluoromethoxy)aniline?
The IUPAC name of N-prop-1-enyl-4-(trifluoromethoxy)aniline (CID 173173563) is N-prop-1-enyl-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-prop-1-enyl-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-prop-1-enyl-4-(trifluoromethoxy)aniline is CC=CNc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-prop-1-enyl-4-(trifluoromethoxy)aniline?
The InChIKey is CBXQZKWIQAHHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-2-7-14-8-3-5-9(6-4-8)15-10(11,12)13/h2-7,14H,1H3.
What are the key properties of N-prop-1-enyl-4-(trifluoromethoxy)aniline?
N-prop-1-enyl-4-(trifluoromethoxy)aniline has a molecular weight of 217.19 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-enyl-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 173173563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).