2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine

C7H12F3NO — CID 43752944

IUPAC2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine
SMILESNCC(OCC1CC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(3-11)12-4-5-1-2-5/h5-6H,1-4,11H2
InChIKeyMCTBAOIHILVGEP-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.30
Rot. Bonds4

About 2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine

2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine (PubChem CID 43752944) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine
PubChem CID43752944
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine
SMILESNCC(OCC1CC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(3-11)12-4-5-1-2-5/h5-6H,1-4,11H2
InChIKeyMCTBAOIHILVGEP-UHFFFAOYSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-Difluorocyclopropoxy)ethan-1-amine
CID 121207600
2-(2,2-Difluorocyclopropoxy)ethan-1-amine hydrochloride
CID 155858474
(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine
CID 164536315
3-Cyclopropyloxy-1,1,1-trifluoropropan-2-amine
CID 164536459
(2S)-3-cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride
CID 171401108
3-Cyclopropyloxy-1,1,1-trifluoropropan-2-amine;hydrochloride
CID 174220616
3,3,3-Trifluoro-2-(3-methylbutoxy)propan-1-amine
CID 43752917
3,3,3-Trifluoro-2-(2-methylpropoxy)propan-1-amine
CID 43752918
2-Butoxy-3,3,3-trifluoropropan-1-amine
CID 43752987
3-(Cyclopropylmethoxy)-4,4,4-trifluorobutan-1-amine
CID 43753321
3-(Cyclopropylmethoxy)-4,4,4-trifluorobutan-2-amine
CID 61648322
2-(Cyclopropylmethoxy)-1,1,1-trifluoropentan-3-amine
CID 61648323

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine (CID 43752944) is 2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine is NCC(OCC1CC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine?
The InChIKey is MCTBAOIHILVGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(3-11)12-4-5-1-2-5/h5-6H,1-4,11H2.
What are the key properties of 2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine?
2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine has a molecular weight of 183.17 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43752944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).