(2,2-difluorocyclopropyl)methanamine

C4H7F2N — CID 21072530

IUPAC(2,2-difluorocyclopropyl)methanamine
SMILESNCC1CC1(F)F
InChIInChI=1S/C4H7F2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2
InChIKeyISMZEPBEQCSYFX-UHFFFAOYSA-N
MW107.10 g/mol
LogP0.60
Rot. Bonds1

About (2,2-difluorocyclopropyl)methanamine

(2,2-difluorocyclopropyl)methanamine (PubChem CID 21072530) has the molecular formula C4H7F2N and a molecular weight of 107.10 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)methanamine.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)methanamine
PubChem CID21072530
Molecular FormulaC4H7F2N
Molecular Weight107.10 g/mol
Exact Mass107.05
IUPAC Name(2,2-difluorocyclopropyl)methanamine
SMILESNCC1CC1(F)F
InChIInChI=1S/C4H7F2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2
InChIKeyISMZEPBEQCSYFX-UHFFFAOYSA-N
XLogP0.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.10
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

rac-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine hydrochloride
CID 71656092
(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine hydrochloride
CID 72214582
(2,2-Difluorocyclopropyl)methanamine hydrochloride
CID 75480932
rac-(1R,2R)-2-(difluoromethyl)cyclopropan-1-amine hydrochloride
CID 122199357
2-(Difluoromethyl)cyclopropan-1-amine hydrochloride
CID 122360158
rac-(1R,2S)-2-(difluoromethyl)cyclopropan-1-aminehydrochloride,cis
CID 134690798
rac-1-((1R,2R)-2-fluorocyclopropyl)methanamine hydrochloride
CID 155820456
2-(Trifluoromethyl)cyclopropan-1-amine
CID 21291128
(1S,2S)-2-(Trifluoromethyl)cyclopropan-1-amine
CID 28901541
(1R,2R)-2-(Trifluoromethyl)cyclopropan-1-amine
CID 28901544
rac-(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine hydrochloride
CID 50988633
(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine hydrochloride
CID 119031364

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)methanamine?
The IUPAC name of (2,2-difluorocyclopropyl)methanamine (CID 21072530) is (2,2-difluorocyclopropyl)methanamine.
What is the SMILES notation for (2,2-difluorocyclopropyl)methanamine?
The canonical SMILES for (2,2-difluorocyclopropyl)methanamine is NCC1CC1(F)F.
What is the InChIKey of (2,2-difluorocyclopropyl)methanamine?
The InChIKey is ISMZEPBEQCSYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2.
What are the key properties of (2,2-difluorocyclopropyl)methanamine?
(2,2-difluorocyclopropyl)methanamine has a molecular weight of 107.10 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)methanamine is sourced from PubChem (CID 21072530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).