1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine

C9H9F3N2 — CID 112706938

IUPAC1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine
SMILESNC1(c2cnccc2C(F)(F)F)CC1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)6-1-4-14-5-7(6)8(13)2-3-8/h1,4-5H,2-3,13H2
InChIKeyHTYRTWXOXQBTNX-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.05
Rot. Bonds1

About 1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine

1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine (PubChem CID 112706938) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine
PubChem CID112706938
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine
SMILESNC1(c2cnccc2C(F)(F)F)CC1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)6-1-4-14-5-7(6)8(13)2-3-8/h1,4-5H,2-3,13H2
InChIKeyHTYRTWXOXQBTNX-UHFFFAOYSA-N
XLogP2.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol
CID 102707376
4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
CID 102707349
1-(3-chloro-4-pyridinyl)cyclopropan-1-amine
CID 55297970
1-(4-ethenyl-3-pyridinyl)cyclopropan-1-amine
CID 74891778
1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine
CID 84767223
1-(4-ethyl-3-pyridinyl)cyclopropan-1-amine
CID 84764543
1-[4-(2-fluorophenyl)-3-pyridinyl]cyclopropan-1-amine
CID 129257642
3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol
CID 106823883
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
CID 102707348
9,9-dioxo-3-[4-(trifluoromethyl)-3-pyridinyl]-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171954379
1-[4-(2-methylphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 129257632

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine (CID 112706938) is 1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine is NC1(c2cnccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine?
The InChIKey is HTYRTWXOXQBTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c10-9(11,12)6-1-4-14-5-7(6)8(13)2-3-8/h1,4-5H,2-3,13H2.
What are the key properties of 1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine?
1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine has a molecular weight of 202.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine is sourced from PubChem (CID 112706938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).