3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine

C8H14F4N2 — CID 106289857

IUPAC3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCC(F)(F)C(F)F)C1
InChIInChI=1S/C8H14F4N2/c9-7(10)8(11,12)4-14-6-2-1-5(13)3-6/h5-7,14H,1-4,13H2
InChIKeyBPHQWDFHDKHKPO-UHFFFAOYSA-N
MW214.21 g/mol
LogP1.36
Rot. Bonds4

About 3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine

3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine (PubChem CID 106289857) has the molecular formula C8H14F4N2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine
PubChem CID106289857
Molecular FormulaC8H14F4N2
Molecular Weight214.21 g/mol
Exact Mass214.11
IUPAC Name3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCC(F)(F)C(F)F)C1
InChIInChI=1S/C8H14F4N2/c9-7(10)8(11,12)4-14-6-2-1-5(13)3-6/h5-7,14H,1-4,13H2
InChIKeyBPHQWDFHDKHKPO-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,2-trifluoroethyl)cyclopentanamine
CID 24697797
Pentane, 2,2,3,3,4,4-hexafluoro-1,5-bisisopropylamino-
CID 101055996
N'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 61151300
N'-(2,2-difluorocyclopentyl)ethane-1,2-diamine
CID 67085242
N'-(3,3-difluorocyclopentyl)ethane-1,2-diamine
CID 67085305
3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine
CID 79461719
N-(2,2-difluoropropyl)cyclopentanamine
CID 84651646
(1R,3R)-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine;dihydrochloride
CID 129247518
trans-(1R,3R)-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine
CID 129247519
(1R)-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine
CID 129275941
2,2-difluoro-N-propan-2-ylcyclopentan-1-amine
CID 131063541
3,3-difluoro-N-propan-2-ylcyclopentan-1-amine
CID 131105751

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine (CID 106289857) is 3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine is NC1CCC(NCC(F)(F)C(F)F)C1.
What is the InChIKey of 3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine?
The InChIKey is BPHQWDFHDKHKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4N2/c9-7(10)8(11,12)4-14-6-2-1-5(13)3-6/h5-7,14H,1-4,13H2.
What are the key properties of 3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine?
3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine has a molecular weight of 214.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 106289857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).