1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol

C14H17F4NO2 — CID 61228034

IUPAC1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol
SMILESOC(CNc1ccc(F)c(C(F)(F)F)c1)COCC1CC1
InChIInChI=1S/C14H17F4NO2/c15-13-4-3-10(5-12(13)14(16,17)18)19-6-11(20)8-21-7-9-1-2-9/h3-5,9,11,19-20H,1-2,6-8H2
InChIKeyMFHHNHMHUHDIGU-UHFFFAOYSA-N
MW307.29 g/mol
LogP3.04
Rot. Bonds7

About 1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol

1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 61228034) has the molecular formula C14H17F4NO2 and a molecular weight of 307.29 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol
PubChem CID61228034
Molecular FormulaC14H17F4NO2
Molecular Weight307.29 g/mol
Exact Mass307.12
IUPAC Name1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol
SMILESOC(CNc1ccc(F)c(C(F)(F)F)c1)COCC1CC1
InChIInChI=1S/C14H17F4NO2/c15-13-4-3-10(5-12(13)14(16,17)18)19-6-11(20)8-21-7-9-1-2-9/h3-5,9,11,19-20H,1-2,6-8H2
InChIKeyMFHHNHMHUHDIGU-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-fluoro-3-(trifluoromethyl)anilino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989570
1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810281
1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60899301
1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55200974
1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898174
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111103548
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol
CID 60900515
1-(5-bromo-2,4-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 102853501
1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60899295
1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol
CID 60899678
1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 83087367

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol (CID 61228034) is 1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol is OC(CNc1ccc(F)c(C(F)(F)F)c1)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is MFHHNHMHUHDIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO2/c15-13-4-3-10(5-12(13)14(16,17)18)19-6-11(20)8-21-7-9-1-2-9/h3-5,9,11,19-20H,1-2,6-8H2.
What are the key properties of 1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 307.29 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 61228034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).