N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine

C5H12F2N2 — CID 102869079

IUPACN'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
SMILESCC(NCCN)C(F)F
InChIInChI=1S/C5H12F2N2/c1-4(5(6)7)9-3-2-8/h4-5,9H,2-3,8H2,1H3
InChIKeyCRJFMGUBTVWYPP-UHFFFAOYSA-N
MW138.16 g/mol
LogP0.19
Rot. Bonds4

About N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine

N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine (PubChem CID 102869079) has the molecular formula C5H12F2N2 and a molecular weight of 138.16 g/mol. Its IUPAC name is N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
PubChem CID102869079
Molecular FormulaC5H12F2N2
Molecular Weight138.16 g/mol
Exact Mass138.10
IUPAC NameN'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
SMILESCC(NCCN)C(F)F
InChIInChI=1S/C5H12F2N2/c1-4(5(6)7)9-3-2-8/h4-5,9H,2-3,8H2,1H3
InChIKeyCRJFMGUBTVWYPP-UHFFFAOYSA-N
XLogP0.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1-iodoethyl)ethane-1,2-diamine
CID 89021038
3-(1,1-difluoropropan-2-ylamino)propanamide
CID 102868267
N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine
CID 102869530
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
4-(1,1-difluoropropan-2-ylamino)butan-2-ol
CID 102869648
N-(1,1-difluoropropan-2-yl)hexan-1-amine
CID 102868054
1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 102870034
N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921
N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine
CID 102870139
6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
CID 107849401
(1S)-1-(2-aminoethylamino)propane-1,2-diol
CID 174340502
N-(1,1-difluoropropan-2-yl)hex-5-yn-1-amine
CID 106209686

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine (CID 102869079) is N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine is CC(NCCN)C(F)F.
What is the InChIKey of N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine?
The InChIKey is CRJFMGUBTVWYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2/c1-4(5(6)7)9-3-2-8/h4-5,9H,2-3,8H2,1H3.
What are the key properties of N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine?
N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine has a molecular weight of 138.16 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 102869079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).