N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine

C7H13F3N2 — CID 79741324

IUPACN-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
SMILESFC(F)(F)CCNC1CCNC1
InChIInChI=1S/C7H13F3N2/c8-7(9,10)2-4-12-6-1-3-11-5-6/h6,11-12H,1-5H2
InChIKeyNVTUWMARRCKXKM-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.89
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine

N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine (PubChem CID 79741324) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
PubChem CID79741324
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC NameN-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
SMILESFC(F)(F)CCNC1CCNC1
InChIInChI=1S/C7H13F3N2/c8-7(9,10)2-4-12-6-1-3-11-5-6/h6,11-12H,1-5H2
InChIKeyNVTUWMARRCKXKM-UHFFFAOYSA-N
XLogP0.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 115516260
N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine
CID 84660689
(3S)-N-butylpyrrolidin-3-amine
CID 154470800
N-but-3-ynylpyrrolidin-3-amine
CID 79741791
1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696502
(3R)-N-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 141191346
N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide
CID 106333768
N-(cyclopropylmethyl)pyrrolidin-3-amine
CID 53350336
N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine
CID 79742043
N-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-3-amine
CID 103882786
N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide
CID 66986857
N-(2-cyclopropylsulfonylethyl)pyrrolidin-3-amine
CID 84684022

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine (CID 79741324) is N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine is FC(F)(F)CCNC1CCNC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
The InChIKey is NVTUWMARRCKXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c8-7(9,10)2-4-12-6-1-3-11-5-6/h6,11-12H,1-5H2.
What are the key properties of N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine has a molecular weight of 182.19 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine is sourced from PubChem (CID 79741324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).