4-(difluoromethyl)-1-propylazepan-4-amine

C10H20F2N2 — CID 80604308

IUPAC4-(difluoromethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(N)(C(F)F)CC1
InChIInChI=1S/C10H20F2N2/c1-2-6-14-7-3-4-10(13,5-8-14)9(11)12/h9H,2-8,13H2,1H3
InChIKeyNWIFLSGGVJDONK-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.84
Rot. Bonds3

About 4-(difluoromethyl)-1-propylazepan-4-amine

4-(difluoromethyl)-1-propylazepan-4-amine (PubChem CID 80604308) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-propylazepan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-propylazepan-4-amine
PubChem CID80604308
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name4-(difluoromethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(N)(C(F)F)CC1
InChIInChI=1S/C10H20F2N2/c1-2-6-14-7-3-4-10(13,5-8-14)9(11)12/h9H,2-8,13H2,1H3
InChIKeyNWIFLSGGVJDONK-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-propylazepan-4-amine?
The IUPAC name of 4-(difluoromethyl)-1-propylazepan-4-amine (CID 80604308) is 4-(difluoromethyl)-1-propylazepan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-1-propylazepan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-1-propylazepan-4-amine is CCCN1CCCC(N)(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-propylazepan-4-amine?
The InChIKey is NWIFLSGGVJDONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-2-6-14-7-3-4-10(13,5-8-14)9(11)12/h9H,2-8,13H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-propylazepan-4-amine?
4-(difluoromethyl)-1-propylazepan-4-amine has a molecular weight of 206.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-propylazepan-4-amine is sourced from PubChem (CID 80604308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).