N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine

C7H13F2N5 — CID 107065155

IUPACN-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCNC(Cc1nnn(C)n1)C(F)F
InChIInChI=1S/C7H13F2N5/c1-3-10-5(7(8)9)4-6-11-13-14(2)12-6/h5,7,10H,3-4H2,1-2H3
InChIKeyFSEHZJXRRDVIDQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.00
Rot. Bonds5

About N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine

N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107065155) has the molecular formula C7H13F2N5 and a molecular weight of 205.21 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107065155
Molecular FormulaC7H13F2N5
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC NameN-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCNC(Cc1nnn(C)n1)C(F)F
InChIInChI=1S/C7H13F2N5/c1-3-10-5(7(8)9)4-6-11-13-14(2)12-6/h5,7,10H,3-4H2,1-2H3
InChIKeyFSEHZJXRRDVIDQ-UHFFFAOYSA-N
XLogP-0.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107065155) is N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine is CCNC(Cc1nnn(C)n1)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is FSEHZJXRRDVIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N5/c1-3-10-5(7(8)9)4-6-11-13-14(2)12-6/h5,7,10H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine?
N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 205.21 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107065155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).