3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol

C7H12F3NO — CID 106212158

IUPAC3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol
SMILESOCCCNC1(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(2-3-6)11-4-1-5-12/h11-12H,1-5H2
InChIKeyWFSPLTLFGTUSMS-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.05
Rot. Bonds4

About 3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol

3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol (PubChem CID 106212158) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol
PubChem CID106212158
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol
SMILESOCCCNC1(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(2-3-6)11-4-1-5-12/h11-12H,1-5H2
InChIKeyWFSPLTLFGTUSMS-UHFFFAOYSA-N
XLogP1.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-nonyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212400
N-decyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210328
5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid
CID 106215305
N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
CID 106219094
N-(2-ethoxyethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212436
N-propyl-1-(trifluoromethyl)cyclopentan-1-amine
CID 66206814
N-propyl-1-(trifluoromethyl)cyclododecan-1-amine
CID 66206608
N-(2-methoxyethyl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
CID 106219170
2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile
CID 106212446
4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine
CID 106219307
N'-hydroxy-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethanimidamide
CID 106213717
3-(trifluoromethylamino)propan-1-ol
CID 87322555

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol (CID 106212158) is 3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol is OCCCNC1(C(F)(F)F)CC1.
What is the InChIKey of 3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol?
The InChIKey is WFSPLTLFGTUSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(2-3-6)11-4-1-5-12/h11-12H,1-5H2.
What are the key properties of 3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol?
3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol has a molecular weight of 183.17 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol is sourced from PubChem (CID 106212158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).