N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

C10H14F3NO — CID 106210664

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCC2CCC=CO2)CC1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(4-5-9)14-7-8-3-1-2-6-15-8/h2,6,8,14H,1,3-5,7H2
InChIKeyWTADFCIVXLFNCK-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.36
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210664) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210664
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCC2CCC=CO2)CC1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(4-5-9)14-7-8-3-1-2-6-15-8/h2,6,8,14H,1,3-5,7H2
InChIKeyWTADFCIVXLFNCK-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-2-yl)-2,2,2-trifluoro-N-methylethanamine
CID 55297095
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine
CID 62064871
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 63226222
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828549
(2,2-difluoroethyl)(3,4-dihydro-2H-pyran-2-ylmethyl)amine
CID 75481269
N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300300
N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300301
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-2-amine
CID 102613521
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 107094668
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1-difluoropropan-2-ol
CID 107095093
2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 107095580
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 107095609

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210664) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCC2CCC=CO2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is WTADFCIVXLFNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)9(4-5-9)14-7-8-3-1-2-6-15-8/h2,6,8,14H,1,3-5,7H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 221.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).